載入...
Electron density functions for simple molecules
Trial electron density functions have some conceptual and computational advantages over wave functions. The properties of some simple density functions for H(+)(2) and H(2) are examined. It appears that for a diatomic molecule a good density function would be given by ρ = N(A(2) + B(2)), in which A...
Na minha lista:
| Main Authors: | , |
|---|---|
| 格式: | Artigo |
| 語言: | Inglês |
| 出版: |
1980
|
| 主題: | |
| 在線閱讀: | https://ncbi.nlm.nih.gov/pmc/articles/PMC348576/ https://ncbi.nlm.nih.gov/pubmed/16592790 |
| 標簽: |
添加標簽
沒有標簽, 成為第一個標記此記錄!
|